N-(1-adamantyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H29N5O2 MolecularWeight: 371.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O2/c1-13-4-2-3-5-24(13)19-17(25(26)27)18(21-12-22-19)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,2-11H2,1H3,(H,21,22,23)